N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide

C17H19N3O3 — CID 842983

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C17H19N3O3/c1-13(21)19-8-10-20(11-9-19)15-6-4-14(5-7-15)18-17(22)16-3-2-12-23-16/h2-7,12H,8-11H2,1H3,(H,18,22)
InChIKeyUXOAOUITLQTDJV-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.20
Rot. Bonds3

About N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 842983) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID842983
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C17H19N3O3/c1-13(21)19-8-10-20(11-9-19)15-6-4-14(5-7-15)18-17(22)16-3-2-12-23-16/h2-7,12H,8-11H2,1H3,(H,18,22)
InChIKeyUXOAOUITLQTDJV-UHFFFAOYSA-N
XLogP2.20
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 842983) is N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide is CC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is UXOAOUITLQTDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13(21)19-8-10-20(11-9-19)15-6-4-14(5-7-15)18-17(22)16-3-2-12-23-16/h2-7,12H,8-11H2,1H3,(H,18,22).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 842983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).